This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in mole

Although no training in theoretical chemistry is needed, the book does assume an adequate knowledge of symmetry operations and point groups, which are used thro

This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume high

Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemist

Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian for